5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole

C14H16Cl2N2 — CID 54919972

IUPAC5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
SMILESClCCCCc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C14H16Cl2N2/c15-8-2-1-3-14-17-12-9-10(16)4-7-13(12)18(14)11-5-6-11/h4,7,9,11H,1-3,5-6,8H2
InChIKeyNZKCFKVHFOWVQU-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.59
Rot. Bonds5

About 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole

5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole (PubChem CID 54919972) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
PubChem CID54919972
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
SMILESClCCCCc1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C14H16Cl2N2/c15-8-2-1-3-14-17-12-9-10(16)4-7-13(12)18(14)11-5-6-11/h4,7,9,11H,1-3,5-6,8H2
InChIKeyNZKCFKVHFOWVQU-UHFFFAOYSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]cyclopentan-1-ol
CID 118114327
5-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667410
1-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827796
1-amino-3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-2-ol
CID 66003739
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole?
The IUPAC name of 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole (CID 54919972) is 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole?
The canonical SMILES for 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole is ClCCCCc1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole?
The InChIKey is NZKCFKVHFOWVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-8-2-1-3-14-17-12-9-10(16)4-7-13(12)18(14)11-5-6-11/h4,7,9,11H,1-3,5-6,8H2.
What are the key properties of 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole?
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole has a molecular weight of 283.20 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole is sourced from PubChem (CID 54919972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).